1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol

C13H17FO2 — CID 129180560

IUPAC1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol
SMILESCc1cc2c(cc1F)C(CC(C)(C)O)OC2
InChIInChI=1S/C13H17FO2/c1-8-4-9-7-16-12(6-13(2,3)15)10(9)5-11(8)14/h4-5,12,15H,6-7H2,1-3H3
InChIKeyOARCRVYJLYWJPD-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.87
Rot. Bonds2

About 1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol

1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol (PubChem CID 129180560) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol
PubChem CID129180560
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol
SMILESCc1cc2c(cc1F)C(CC(C)(C)O)OC2
InChIInChI=1S/C13H17FO2/c1-8-4-9-7-16-12(6-13(2,3)15)10(9)5-11(8)14/h4-5,12,15H,6-7H2,1-3H3
InChIKeyOARCRVYJLYWJPD-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol (CID 129180560) is 1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol is Cc1cc2c(cc1F)C(CC(C)(C)O)OC2.
What is the InChIKey of 1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol?
The InChIKey is OARCRVYJLYWJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-8-4-9-7-16-12(6-13(2,3)15)10(9)5-11(8)14/h4-5,12,15H,6-7H2,1-3H3.
What are the key properties of 1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol?
1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol has a molecular weight of 224.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-5-methyl-1,3-dihydro-2-benzofuran-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 129180560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).